2-Cyanobutanedioic acid dimethyl ester
TL;DR: 2-Cyanobutanedioic acid dimethyl ester (CAS 6283-71-2) is a chemical compound with molecular formula C7H9NO4 and molecular weight 171.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-cyanobutanedioate
Also Known As: dimethyl 2-cyanosuccinate, 2-Cyanosuccinic acid dimethyl ester, Dimethyl cyanosuccinate, dimethyl 2-cyanobutanedioate, dimethyl2-cyanosuccinate
| Molecular Formula | C7H9NO4 |
|---|---|
| Molecular Weight | 171.05 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 76.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 171.05316 |
| Heavy Atoms | 12 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 6283-71-2 |
|---|---|
| SMILES | COC(=O)CC(C#N)C(=O)OC |
| InChIKey | PJAMMJHRVPQDMS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Cyanobutanedioic acid dimethyl ester (CAS 6283-71-2), with molecular formula C7H9NO4 and molecular weight 171.05 g/mol. IUPAC: dimethyl 2-cyanobutanedioate.
Chemical Property Profile of 2-Cyanobutanedioic acid dimethyl ester
Property Insights of 2-Cyanobutanedioic acid dimethyl ester
The XLogP value of -0.1 indicates that 2-Cyanobutanedioic acid dimethyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 76.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyanobutanedioic acid dimethyl ester. Following Lipinski's Rule of Five, 2-Cyanobutanedioic acid dimethyl ester has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Cyanobutanedioic acid dimethyl ester?
The CAS number of 2-Cyanobutanedioic acid dimethyl ester is 6283-71-2.
What is the molecular formula of 2-Cyanobutanedioic acid dimethyl ester?
The molecular formula of 2-Cyanobutanedioic acid dimethyl ester is C7H9NO4.
What is the molecular weight of 2-Cyanobutanedioic acid dimethyl ester?
The molecular weight of 2-Cyanobutanedioic acid dimethyl ester is 171.05 g/mol.
Where can I buy 2-Cyanobutanedioic acid dimethyl ester?
You can request a quote for 2-Cyanobutanedioic acid dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyanobutanedioic acid dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyanobutanedioic acid dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.